Information card for entry 1573831

Structure parameters

• Formula: C26 H18 Co N4 O6
• Calculated formula: C26 H18 Co N4 O6
• SMILES: c12ccccc1C=[N](c1ccc(cc1)N(=O)=O)[Co]1(O2)[N](=Cc2c(cccc2)O1)c1ccc(N(=O)=O)cc1
• Title of publication: THz-EPR-based Magneto-Structural Correlations for Cobalt(II) Single-Ion Magnets With Bis-Chelate Coordination
• Authors of publication: Maximilian H. Pohle; Thomas Lohmiller; Michael Böhme; Michał Rams; Sven Ziegenbalg; Helmar Görls; Alexander Schnegg; Winfried Plass
• Journal of publication: Chemistry - A European Journal
• Year of publication: 2024
• Journal volume: 30
• Journal issue: 60
• Pages of publication: e202401545(1) - e202401545(14)
• a: 22.2654 ± 0.0009 Å
• b: 8.2992 ± 0.0005 Å
• c: 12.0801 ± 0.0007 Å
• α: 90°
• β: 96.432 ± 0.003°
• γ: 90°
• Cell volume: 2218.2 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No